3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

C18H19ClN2O4S — CID 25434865

IUPAC3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H19ClN2O4S/c1-13-5-6-16(20-18(22)14-3-2-4-15(19)11-14)12-17(13)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyAJKVRKMIQJHUGX-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.92
Rot. Bonds4

About 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 25434865) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID25434865
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H19ClN2O4S/c1-13-5-6-16(20-18(22)14-3-2-4-15(19)11-14)12-17(13)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyAJKVRKMIQJHUGX-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 25434865) is 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is AJKVRKMIQJHUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-13-5-6-16(20-18(22)14-3-2-4-15(19)11-14)12-17(13)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22).
What are the key properties of 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 394.88 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 25434865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).